(Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine

C12H26N2 — CID 139323914

IUPAC(Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine
SMILESCC[C@H](C)C/C=C\C(C)(N)NC(C)C
InChIInChI=1S/C12H26N2/c1-6-11(4)8-7-9-12(5,13)14-10(2)3/h7,9-11,14H,6,8,13H2,1-5H3/b9-7-/t11-,12?/m0/s1
InChIKeyIOUBSPGKSCVRJI-VGTLBOQDSA-N
MW198.35 g/mol
LogP2.65
Rot. Bonds6

About (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine

(Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine (PubChem CID 139323914) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine.

Molecular Properties

Compound Name(Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine
PubChem CID139323914
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine
SMILESCC[C@H](C)C/C=C\C(C)(N)NC(C)C
InChIInChI=1S/C12H26N2/c1-6-11(4)8-7-9-12(5,13)14-10(2)3/h7,9-11,14H,6,8,13H2,1-5H3/b9-7-/t11-,12?/m0/s1
InChIKeyIOUBSPGKSCVRJI-VGTLBOQDSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine?
The IUPAC name of (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine (CID 139323914) is (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine.
What is the SMILES notation for (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine?
The canonical SMILES for (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine is CC[C@H](C)C/C=C\C(C)(N)NC(C)C.
What is the InChIKey of (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine?
The InChIKey is IOUBSPGKSCVRJI-VGTLBOQDSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-11(4)8-7-9-12(5,13)14-10(2)3/h7,9-11,14H,6,8,13H2,1-5H3/b9-7-/t11-,12?/m0/s1.
What are the key properties of (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine?
(Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6S)-6-methyl-2-N'-propan-2-yloct-3-ene-2,2-diamine is sourced from PubChem (CID 139323914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).